Geometry & MOs

Info

ID:	183774
PubChem CID:	77069310
Reduced:	FN3O3C11H14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	287.05132
ΔH_f, kcal/mol:	-105.74
Dipole, Da:	6.35
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-3-(2-fluoro-6-methoxyphenyl)-2-phenylprop-2-enenitrile

Drug info:

PubChemData

Smile

CN(CC(=NO)N)C(=O)C1=C(C=CC=C1F)OC

DOS

IR

Vibrations